tert-butyl N-[(1R)-1-[(3R)-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethyl]carbamate

C15H26N4O2S — CID 97074387

IUPACtert-butyl N-[(1R)-1-[(3R)-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethyl]carbamate
SMILESCc1nsc(N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C15H26N4O2S/c1-10(16-14(20)21-15(3,4)5)12-7-6-8-19(9-12)13-17-11(2)18-22-13/h10,12H,6-9H2,1-5H3,(H,16,20)/t10-,12-/m1/s1
InChIKeyIMWRVFXRVLEJJP-ZYHUDNBSSA-N
MW326.47 g/mol
LogP2.98
Rot. Bonds3

About tert-butyl N-[(1R)-1-[(3R)-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethyl]carbamate

tert-butyl N-[(1R)-1-[(3R)-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethyl]carbamate (PubChem CID 97074387) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-[(3R)-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-[(3R)-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethyl]carbamate
PubChem CID97074387
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC Nametert-butyl N-[(1R)-1-[(3R)-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethyl]carbamate
SMILESCc1nsc(N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C15H26N4O2S/c1-10(16-14(20)21-15(3,4)5)12-7-6-8-19(9-12)13-17-11(2)18-22-13/h10,12H,6-9H2,1-5H3,(H,16,20)/t10-,12-/m1/s1
InChIKeyIMWRVFXRVLEJJP-ZYHUDNBSSA-N
XLogP2.98
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-[(3R)-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-[(3R)-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethyl]carbamate (CID 97074387) is tert-butyl N-[(1R)-1-[(3R)-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-[(3R)-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-[(3R)-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethyl]carbamate is Cc1nsc(N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1.
What is the InChIKey of tert-butyl N-[(1R)-1-[(3R)-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethyl]carbamate?
The InChIKey is IMWRVFXRVLEJJP-ZYHUDNBSSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-10(16-14(20)21-15(3,4)5)12-7-6-8-19(9-12)13-17-11(2)18-22-13/h10,12H,6-9H2,1-5H3,(H,16,20)/t10-,12-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1-[(3R)-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethyl]carbamate?
tert-butyl N-[(1R)-1-[(3R)-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethyl]carbamate has a molecular weight of 326.47 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-[(3R)-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethyl]carbamate is sourced from PubChem (CID 97074387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).